(3aR)-1-methyl-3,3-diphenyl-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole

(3aR)-1-methyl-3,3-diphenyl-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole

CAS: 112022-83-0

Formula: C18H20BNO

SMILES: [H][C@]12CCCN1B(C)OC2(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: (3aR)-1-methyl-3,3-diphenyl-hexahydropyrrolo[1,2-c][1,3,2]oxazaborole

InChI: InChI=1S/C18H20BNO/c1-19-20-14-8-13-17(20)18(21-19,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17H,8,13-14H2,1H3/t17-/m1/s1

Composition: C (78.00%), H (7.27%), B (3.90%), N (5.05%), O (5.77%)

Molar Mass: 277.17

Atom Count: 41

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	277.163794
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	VMKAFJQFKBASMU-QGZVFWFLSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.11
Topological Polar Surface Area	12.47
Polarizability	33.78
Ring Count	4
Rotatable Bond Count	2

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98%	<14 Days	112022-83-0		Quote Only